3-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 3-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 3-fluoro-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 3-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 3-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C18H20F4N3O2S+ MolecularWeight: 418.428913

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H19F4N3O2S/c1-24-7-9-25(10-8-24)17-6-5-13(18(20,21)22)11-16(17)23-28(26,27)15-4-2-3-14(19)12-15/h2-6,11-12,23H,7-10H2,1H3/p+1